In the title compound, C(7)H(6)BNO(2), the mean plane of the -B(OH)(2) group is twisted by 21.28â (6)° relative to the cyano-phenyl ring mean plane. In the crystal, mol-ecules are linked by O-Hâ¯O and O-Hâ¯N hydrogen bonds, forming chains propagating along the [101] direction. Offset Ï-Ï and Bâ¯Ï stacking inter-actions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals inter-actions constitute a further major contribution to the inter-molecular inter-actions, with Hâ¯H contacts accounting for 25.8% of the surface.
Crystal structure and Hirshfeld surface analysis of 3-cyano-phenyl-boronic acid.
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作者:Cárdenas-Valenzuela A Jaquelin, González-GarcÃa Gerardo, Zárraga-Nuñez Ramón, Höpfl Herbert, Campos-Gaxiola José J, Cruz-EnrÃquez Adriana
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2018 | 起止号: | 2018 Mar 2; 74(Pt 4):441-444 |
| doi: | 10.1107/S2056989018003146 | ||
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